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53764-99-1

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53764-99-1 Structure

53764-99-1 Structure
IdentificationBack Directory
[Name]

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE
[CAS]

53764-99-1
[Synonyms]

4,4,4-trifluoro-1-(M-tolyl)butane-1,3-dione
4,4,4-trifluoro-1-(3-methylphenyl)butane-1,3-dione
4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE
1,3-Butanedione, 4,4,4-trifluoro-1-(3-methylphenyl)-
4,4,4-trifluoro-1 - (m-methylphenyl) butane-1,3-dione
[Molecular Formula]

C11H9F3O2
[MDL Number]

MFCD11849497
[MOL File]

53764-99-1.mol
[Molecular Weight]

230.18
Chemical PropertiesBack Directory
[Boiling point ]

270.2±35.0 °C(Predicted)
[density ]

1.252±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Oil
[pka]

5.73±0.23(Predicted)
[color ]

Pale Brown
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P260-P280-P312
Hazard InformationBack Directory
[Uses]

4,4,4-Trifluoro-1-(3-methylphenyl)-1,3-butanedione is an intermediate in the synthesis of 4-Desmethyl-3-methyl Celecoxib (D293040). 4-Desmethyl-3-methyl Celecoxib is a meta positional isomer of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2. USP Celecoxib Related Compound A.
Spectrum DetailBack Directory
[Spectrum Detail]

4,4,4-TRIFLUORO-1-(3-METHYLPHENYL)-1,3-BUTANEDIONE(53764-99-1)1HNMR
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